7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran

C14H20O4 — CID 66222745

IUPAC7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
SMILESCOC(COc1cccc2c1OC(C)(C)C2)OC
InChIInChI=1S/C14H20O4/c1-14(2)8-10-6-5-7-11(13(10)18-14)17-9-12(15-3)16-4/h5-7,12H,8-9H2,1-4H3
InChIKeyDQSREOCPOMBYOD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds5

About 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran

7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran (PubChem CID 66222745) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
PubChem CID66222745
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
SMILESCOC(COc1cccc2c1OC(C)(C)C2)OC
InChIInChI=1S/C14H20O4/c1-14(2)8-10-6-5-7-11(13(10)18-14)17-9-12(15-3)16-4/h5-7,12H,8-9H2,1-4H3
InChIKeyDQSREOCPOMBYOD-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
CID 101171640
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
CID 63914242
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]butane-1-sulfonyl chloride
CID 64999700
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748413
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran (CID 66222745) is 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran is COC(COc1cccc2c1OC(C)(C)C2)OC.
What is the InChIKey of 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is DQSREOCPOMBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2)8-10-6-5-7-11(13(10)18-14)17-9-12(15-3)16-4/h5-7,12H,8-9H2,1-4H3.
What are the key properties of 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran?
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 252.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 66222745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).